8,10-dichloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8,10-dichloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8,10-dichloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1565 |
| Compound Name: | 8,10-dichloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 524.47 |
| Molecular Formula: | C24 H27 Cl2 N3 O4 S |
| Smiles: | CC12C(C(c3cc(cc(c3O2)[Cl])[Cl])NC(N1CCc1ccc(c(c1)OC)OC)=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.064 |
| logD: | 4.064 |
| logSw: | -4.5718 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.048 |
| InChI Key: | XLQNMJXQEUWNQV-UHFFFAOYSA-N |